1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine

C11H18ClN3 — CID 115306332

IUPAC1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-11(13,4-2)8-15-10-5-6-14-7-9(10)12/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyOYFJWOCFZCYSAN-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.66
Rot. Bonds5

About 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine

1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine (PubChem CID 115306332) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
PubChem CID115306332
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-11(13,4-2)8-15-10-5-6-14-7-9(10)12/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyOYFJWOCFZCYSAN-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053
3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
CID 106116507
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
CID 115306111
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine (CID 115306332) is 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNc1ccncc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine?
The InChIKey is OYFJWOCFZCYSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-11(13,4-2)8-15-10-5-6-14-7-9(10)12/h5-7H,3-4,8,13H2,1-2H3,(H,14,15).
What are the key properties of 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine?
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 115306332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).